2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide

C17H16Cl2N4O6S — CID 4679421

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N4O6S/c1-22(30(27,28)13-4-6-16(29-2)15(19)8-13)10-17(24)21-20-9-11-7-12(23(25)26)3-5-14(11)18/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyOXWGYRFXFKQJQL-UHFFFAOYSA-N
MW475.31 g/mol
LogP2.68
Rot. Bonds8

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 4679421) has the molecular formula C17H16Cl2N4O6S and a molecular weight of 475.31 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide
PubChem CID4679421
Molecular FormulaC17H16Cl2N4O6S
Molecular Weight475.31 g/mol
Exact Mass474.02
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N4O6S/c1-22(30(27,28)13-4-6-16(29-2)15(19)8-13)10-17(24)21-20-9-11-7-12(23(25)26)3-5-14(11)18/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyOXWGYRFXFKQJQL-UHFFFAOYSA-N
XLogP2.68
TPSA131.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 3964836
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126191320
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)methylideneamino]acetamide
CID 5217323
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 6037281
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126033558
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4261913
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(N-methylsulfonylanilino)acetamide
CID 6876829
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 45372277
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511415
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6175757
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 6065263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide (CID 4679421) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is OXWGYRFXFKQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O6S/c1-22(30(27,28)13-4-6-16(29-2)15(19)8-13)10-17(24)21-20-9-11-7-12(23(25)26)3-5-14(11)18/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 475.31 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4679421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).